6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one

C12H11N3O2 — CID 58996336

IUPAC6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one
SMILESC=NOCc1cccc(-c2cccc(=O)[nH]2)n1
InChIInChI=1S/C12H11N3O2/c1-13-17-8-9-4-2-5-10(14-9)11-6-3-7-12(16)15-11/h2-7H,1,8H2,(H,15,16)
InChIKeyVDYDWSTYVGCGNY-UHFFFAOYSA-N
MW229.24 g/mol
LogP1.57
Rot. Bonds4

About 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one

6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one (PubChem CID 58996336) has the molecular formula C12H11N3O2 and a molecular weight of 229.24 g/mol. Its IUPAC name is 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one.

Molecular Properties

Compound Name6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one
PubChem CID58996336
Molecular FormulaC12H11N3O2
Molecular Weight229.24 g/mol
Exact Mass229.09
IUPAC Name6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one
SMILESC=NOCc1cccc(-c2cccc(=O)[nH]2)n1
InChIInChI=1S/C12H11N3O2/c1-13-17-8-9-4-2-5-10(14-9)11-6-3-7-12(16)15-11/h2-7H,1,8H2,(H,15,16)
InChIKeyVDYDWSTYVGCGNY-UHFFFAOYSA-N
XLogP1.57
TPSA67.34 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500229.24
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one?
The IUPAC name of 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one (CID 58996336) is 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one.
What is the SMILES notation for 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one?
The canonical SMILES for 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one is C=NOCc1cccc(-c2cccc(=O)[nH]2)n1.
What is the InChIKey of 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one?
The InChIKey is VDYDWSTYVGCGNY-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11N3O2/c1-13-17-8-9-4-2-5-10(14-9)11-6-3-7-12(16)15-11/h2-7H,1,8H2,(H,15,16).
What are the key properties of 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one?
6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one has a molecular weight of 229.24 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[6-[(methylideneamino)oxymethyl]-2-pyridinyl]-1H-pyridin-2-one is sourced from PubChem (CID 58996336), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).